692 lines
26 KiB
Fortran
692 lines
26 KiB
Fortran
!--------------------------------------------------------------------------------------------------
|
|
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @brief elasticity, plasticity, damage & thermal internal microstructure state
|
|
!--------------------------------------------------------------------------------------------------
|
|
module phase
|
|
use prec
|
|
use math
|
|
use rotations
|
|
use IO
|
|
use config
|
|
use material
|
|
use results
|
|
use lattice
|
|
use discretization
|
|
use parallelization
|
|
use HDF5_utilities
|
|
|
|
implicit none
|
|
private
|
|
|
|
type(Rotation), dimension(:,:,:), allocatable :: &
|
|
material_orientation0 !< initial orientation of each grain,IP,element
|
|
|
|
type(rotation), dimension(:,:,:), allocatable :: &
|
|
crystallite_orientation !< current orientation
|
|
|
|
type :: tTensorContainer
|
|
real(pReal), dimension(:,:,:), allocatable :: data
|
|
end type
|
|
|
|
type :: tNumerics
|
|
integer :: &
|
|
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
|
|
nState, & !< state loop limit
|
|
nStress !< stress loop limit
|
|
real(pReal) :: &
|
|
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
|
|
subStepSizeCryst, & !< size of first substep when cutback
|
|
subStepSizeLp, & !< size of first substep when cutback in Lp calculation
|
|
subStepSizeLi, & !< size of first substep when cutback in Li calculation
|
|
stepIncreaseCryst, & !< increase of next substep size when previous substep converged
|
|
rtol_crystalliteState, & !< relative tolerance in state loop
|
|
rtol_crystalliteStress, & !< relative tolerance in stress loop
|
|
atol_crystalliteStress !< absolute tolerance in stress loop
|
|
end type tNumerics
|
|
|
|
type(tNumerics) :: num ! numerics parameters. Better name?
|
|
|
|
type :: tDebugOptions
|
|
logical :: &
|
|
basic, &
|
|
extensive, &
|
|
selective
|
|
integer :: &
|
|
element, &
|
|
ip, &
|
|
grain
|
|
end type tDebugOptions
|
|
|
|
integer, dimension(:), allocatable, public :: & !< ToDo: should be protected (bug in Intel compiler)
|
|
phase_elasticityInstance, &
|
|
phase_NstiffnessDegradations
|
|
|
|
logical, dimension(:), allocatable, public :: & ! ToDo: should be protected (bug in Intel Compiler)
|
|
phase_localPlasticity !< flags phases with local constitutive law
|
|
|
|
type(tPlasticState), allocatable, dimension(:), public :: &
|
|
plasticState
|
|
type(tState), allocatable, dimension(:), public :: &
|
|
damageState
|
|
|
|
|
|
integer, public, protected :: &
|
|
phase_plasticity_maxSizeDotState, &
|
|
phase_source_maxSizeDotState
|
|
|
|
interface
|
|
|
|
! == cleaned:begin =================================================================================
|
|
module subroutine mechanical_init(materials,phases)
|
|
class(tNode), pointer :: materials,phases
|
|
end subroutine mechanical_init
|
|
|
|
module subroutine damage_init
|
|
end subroutine damage_init
|
|
|
|
module subroutine thermal_init(phases)
|
|
class(tNode), pointer :: phases
|
|
end subroutine thermal_init
|
|
|
|
|
|
module subroutine mechanical_results(group,ph)
|
|
character(len=*), intent(in) :: group
|
|
integer, intent(in) :: ph
|
|
end subroutine mechanical_results
|
|
|
|
module subroutine damage_results(group,ph)
|
|
character(len=*), intent(in) :: group
|
|
integer, intent(in) :: ph
|
|
end subroutine damage_results
|
|
|
|
module subroutine mechanical_forward()
|
|
end subroutine mechanical_forward
|
|
|
|
module subroutine damage_forward()
|
|
end subroutine damage_forward
|
|
|
|
module subroutine thermal_forward()
|
|
end subroutine thermal_forward
|
|
|
|
|
|
module subroutine mechanical_restore(ce,includeL)
|
|
integer, intent(in) :: ce
|
|
logical, intent(in) :: includeL
|
|
end subroutine mechanical_restore
|
|
|
|
|
|
module function phase_mechanical_dPdF(dt,co,ce) result(dPdF)
|
|
real(pReal), intent(in) :: dt
|
|
integer, intent(in) :: &
|
|
co, & !< counter in constituent loop
|
|
ce
|
|
real(pReal), dimension(3,3,3,3) :: dPdF
|
|
end function phase_mechanical_dPdF
|
|
|
|
module subroutine mechanical_restartWrite(groupHandle,ph)
|
|
integer(HID_T), intent(in) :: groupHandle
|
|
integer, intent(in) :: ph
|
|
end subroutine mechanical_restartWrite
|
|
|
|
module subroutine mechanical_restartRead(groupHandle,ph)
|
|
integer(HID_T), intent(in) :: groupHandle
|
|
integer, intent(in) :: ph
|
|
end subroutine mechanical_restartRead
|
|
|
|
|
|
module function mechanical_S(ph,en) result(S)
|
|
integer, intent(in) :: ph,en
|
|
real(pReal), dimension(3,3) :: S
|
|
end function mechanical_S
|
|
|
|
module function mechanical_L_p(ph,en) result(L_p)
|
|
integer, intent(in) :: ph,en
|
|
real(pReal), dimension(3,3) :: L_p
|
|
end function mechanical_L_p
|
|
|
|
module function mechanical_F_e(ph,en) result(F_e)
|
|
integer, intent(in) :: ph,en
|
|
real(pReal), dimension(3,3) :: F_e
|
|
end function mechanical_F_e
|
|
|
|
|
|
module function phase_F(co,ce) result(F)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal), dimension(3,3) :: F
|
|
end function phase_F
|
|
|
|
module function phase_P(co,ce) result(P)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal), dimension(3,3) :: P
|
|
end function phase_P
|
|
|
|
module function thermal_T(ph,me) result(T)
|
|
integer, intent(in) :: ph,me
|
|
real(pReal) :: T
|
|
end function thermal_T
|
|
|
|
module function thermal_dot_T(ph,me) result(dot_T)
|
|
integer, intent(in) :: ph,me
|
|
real(pReal) :: dot_T
|
|
end function thermal_dot_T
|
|
|
|
module function damage_phi(ph,me) result(phi)
|
|
integer, intent(in) :: ph,me
|
|
real(pReal) :: phi
|
|
end function damage_phi
|
|
|
|
|
|
module subroutine phase_set_F(F,co,ce)
|
|
real(pReal), dimension(3,3), intent(in) :: F
|
|
integer, intent(in) :: co, ce
|
|
end subroutine phase_set_F
|
|
|
|
module subroutine phase_thermal_setField(T,dot_T, co,ce)
|
|
real(pReal), intent(in) :: T, dot_T
|
|
integer, intent(in) :: co, ce
|
|
end subroutine phase_thermal_setField
|
|
|
|
module subroutine phase_set_phi(phi,co,ce)
|
|
real(pReal), intent(in) :: phi
|
|
integer, intent(in) :: co, ce
|
|
end subroutine phase_set_phi
|
|
|
|
|
|
module function phase_mu_phi(co,ce) result(mu)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal) :: mu
|
|
end function phase_mu_phi
|
|
|
|
module function phase_K_phi(co,ce) result(K)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal), dimension(3,3) :: K
|
|
end function phase_K_phi
|
|
|
|
|
|
module function phase_mu_T(co,ce) result(mu)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal) :: mu
|
|
end function phase_mu_T
|
|
|
|
module function phase_K_T(co,ce) result(K)
|
|
integer, intent(in) :: co, ce
|
|
real(pReal), dimension(3,3) :: K
|
|
end function phase_K_T
|
|
|
|
! == cleaned:end ===================================================================================
|
|
|
|
module function thermal_stress(Delta_t,ph,me) result(converged_)
|
|
|
|
real(pReal), intent(in) :: Delta_t
|
|
integer, intent(in) :: ph, me
|
|
logical :: converged_
|
|
|
|
end function thermal_stress
|
|
|
|
module function integrateDamageState(dt,co,ip,el) result(broken)
|
|
real(pReal), intent(in) :: dt
|
|
integer, intent(in) :: &
|
|
el, & !< element index in element loop
|
|
ip, & !< integration point index in ip loop
|
|
co !< grain index in grain loop
|
|
logical :: broken
|
|
end function integrateDamageState
|
|
|
|
module function crystallite_stress(dt,co,ip,el) result(converged_)
|
|
real(pReal), intent(in) :: dt
|
|
integer, intent(in) :: co, ip, el
|
|
logical :: converged_
|
|
end function crystallite_stress
|
|
|
|
module function phase_homogenizedC(ph,en) result(C)
|
|
integer, intent(in) :: ph, en
|
|
real(pReal), dimension(6,6) :: C
|
|
end function phase_homogenizedC
|
|
|
|
|
|
module function phase_f_phi(phi,co,ce) result(f)
|
|
integer, intent(in) :: ce,co
|
|
real(pReal), intent(in) :: &
|
|
phi !< damage parameter
|
|
real(pReal) :: &
|
|
f
|
|
end function phase_f_phi
|
|
|
|
module function phase_f_T(ph,me) result(f)
|
|
integer, intent(in) :: ph, me
|
|
real(pReal) :: f
|
|
end function phase_f_T
|
|
|
|
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
|
|
integer, intent(in) :: &
|
|
ph, &
|
|
i, &
|
|
e
|
|
type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
|
|
orientation !< crystal orientation
|
|
end subroutine plastic_nonlocal_updateCompatibility
|
|
|
|
module subroutine plastic_dependentState(co,ip,el)
|
|
integer, intent(in) :: &
|
|
co, & !< component-ID of integration point
|
|
ip, & !< integration point
|
|
el !< element
|
|
end subroutine plastic_dependentState
|
|
|
|
|
|
module subroutine damage_anisobrittle_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
|
|
integer, intent(in) :: ph, me
|
|
real(pReal), intent(in), dimension(3,3) :: &
|
|
S
|
|
real(pReal), intent(out), dimension(3,3) :: &
|
|
Ld !< damage velocity gradient
|
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
|
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
|
|
end subroutine damage_anisobrittle_LiAndItsTangent
|
|
|
|
module subroutine damage_isoductile_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
|
|
integer, intent(in) :: ph, me
|
|
real(pReal), intent(in), dimension(3,3) :: &
|
|
S
|
|
real(pReal), intent(out), dimension(3,3) :: &
|
|
Ld !< damage velocity gradient
|
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
|
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
|
|
end subroutine damage_isoductile_LiAndItsTangent
|
|
|
|
end interface
|
|
|
|
|
|
|
|
type(tDebugOptions) :: debugConstitutive
|
|
#if __INTEL_COMPILER >= 1900
|
|
public :: &
|
|
prec, &
|
|
math, &
|
|
rotations, &
|
|
IO, &
|
|
config, &
|
|
material, &
|
|
results, &
|
|
lattice, &
|
|
discretization, &
|
|
HDF5_utilities
|
|
#endif
|
|
|
|
public :: &
|
|
phase_init, &
|
|
phase_homogenizedC, &
|
|
phase_f_phi, &
|
|
phase_f_T, &
|
|
phase_K_phi, &
|
|
phase_K_T, &
|
|
phase_mu_phi, &
|
|
phase_mu_T, &
|
|
phase_results, &
|
|
phase_allocateState, &
|
|
phase_forward, &
|
|
phase_restore, &
|
|
plastic_nonlocal_updateCompatibility, &
|
|
converged, &
|
|
crystallite_init, &
|
|
crystallite_stress, &
|
|
thermal_stress, &
|
|
phase_mechanical_dPdF, &
|
|
crystallite_orientations, &
|
|
crystallite_push33ToRef, &
|
|
phase_restartWrite, &
|
|
phase_restartRead, &
|
|
integrateDamageState, &
|
|
phase_thermal_setField, &
|
|
phase_set_phi, &
|
|
phase_P, &
|
|
phase_set_F, &
|
|
phase_F
|
|
|
|
contains
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Initialize constitutive models for individual physics
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_init
|
|
|
|
integer :: &
|
|
ph
|
|
class (tNode), pointer :: &
|
|
debug_constitutive, &
|
|
materials, &
|
|
phases
|
|
|
|
|
|
print'(/,a)', ' <<<+- phase init -+>>>'; flush(IO_STDOUT)
|
|
|
|
debug_constitutive => config_debug%get('phase', defaultVal=emptyList)
|
|
debugConstitutive%basic = debug_constitutive%contains('basic')
|
|
debugConstitutive%extensive = debug_constitutive%contains('extensive')
|
|
debugConstitutive%selective = debug_constitutive%contains('selective')
|
|
debugConstitutive%element = config_debug%get_asInt('element', defaultVal = 1)
|
|
debugConstitutive%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
|
debugConstitutive%grain = config_debug%get_asInt('constituent', defaultVal = 1)
|
|
|
|
|
|
materials => config_material%get('material')
|
|
phases => config_material%get('phase')
|
|
|
|
call mechanical_init(materials,phases)
|
|
call damage_init
|
|
call thermal_init(phases)
|
|
|
|
|
|
phase_source_maxSizeDotState = 0
|
|
PhaseLoop2:do ph = 1,phases%length
|
|
!--------------------------------------------------------------------------------------------------
|
|
! partition and initialize state
|
|
plasticState(ph)%state = plasticState(ph)%state0
|
|
if(damageState(ph)%sizeState > 0) &
|
|
damageState(ph)%state = damageState(ph)%state0
|
|
enddo PhaseLoop2
|
|
|
|
phase_source_maxSizeDotState = maxval(damageState%sizeDotState)
|
|
phase_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
|
|
|
|
end subroutine phase_init
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Allocate the components of the state structure for a given phase
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_allocateState(state, &
|
|
NEntries,sizeState,sizeDotState,sizeDeltaState)
|
|
|
|
class(tState), intent(out) :: &
|
|
state
|
|
integer, intent(in) :: &
|
|
NEntries, &
|
|
sizeState, &
|
|
sizeDotState, &
|
|
sizeDeltaState
|
|
|
|
|
|
state%sizeState = sizeState
|
|
state%sizeDotState = sizeDotState
|
|
state%sizeDeltaState = sizeDeltaState
|
|
state%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
|
|
|
|
allocate(state%atol (sizeState), source=0.0_pReal)
|
|
allocate(state%state0 (sizeState,NEntries), source=0.0_pReal)
|
|
allocate(state%state (sizeState,NEntries), source=0.0_pReal)
|
|
|
|
allocate(state%dotState (sizeDotState,NEntries), source=0.0_pReal)
|
|
|
|
allocate(state%deltaState (sizeDeltaState,NEntries), source=0.0_pReal)
|
|
|
|
|
|
end subroutine phase_allocateState
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Restore data after homog cutback.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_restore(ce,includeL)
|
|
|
|
logical, intent(in) :: includeL
|
|
integer, intent(in) :: ce
|
|
|
|
integer :: &
|
|
co
|
|
|
|
|
|
do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
|
|
if (damageState(material_phaseID(co,ce))%sizeState > 0) &
|
|
damageState(material_phaseID(co,ce))%state( :,material_phaseEntry(co,ce)) = &
|
|
damageState(material_phaseID(co,ce))%state0(:,material_phaseEntry(co,ce))
|
|
enddo
|
|
|
|
call mechanical_restore(ce,includeL)
|
|
|
|
end subroutine phase_restore
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Forward data after successful increment.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_forward()
|
|
|
|
call mechanical_forward()
|
|
call damage_forward()
|
|
call thermal_forward()
|
|
|
|
end subroutine phase_forward
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief writes constitutive results to HDF5 output file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_results()
|
|
|
|
integer :: ph
|
|
character(len=:), allocatable :: group
|
|
|
|
|
|
call results_closeGroup(results_addGroup('/current/phase/'))
|
|
|
|
do ph = 1, size(material_name_phase)
|
|
|
|
group = '/current/phase/'//trim(material_name_phase(ph))//'/'
|
|
call results_closeGroup(results_addGroup(group))
|
|
|
|
call mechanical_results(group,ph)
|
|
call damage_results(group,ph)
|
|
|
|
enddo
|
|
|
|
end subroutine phase_results
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief allocates and initialize per grain variables
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine crystallite_init()
|
|
|
|
integer :: &
|
|
ph, &
|
|
co, & !< counter in integration point component loop
|
|
ip, & !< counter in integration point loop
|
|
el, & !< counter in element loop
|
|
cMax, & !< maximum number of integration point components
|
|
iMax, & !< maximum number of integration points
|
|
eMax !< maximum number of elements
|
|
|
|
class(tNode), pointer :: &
|
|
num_crystallite, &
|
|
phases
|
|
|
|
|
|
print'(/,a)', ' <<<+- crystallite init -+>>>'
|
|
|
|
cMax = homogenization_maxNconstituents
|
|
iMax = discretization_nIPs
|
|
eMax = discretization_Nelems
|
|
|
|
allocate(crystallite_orientation(cMax,iMax,eMax))
|
|
|
|
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
|
|
|
|
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
|
|
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
|
|
num%stepIncreaseCryst = num_crystallite%get_asFloat ('stepIncrease', defaultVal=1.5_pReal)
|
|
num%subStepSizeLp = num_crystallite%get_asFloat ('subStepSizeLp', defaultVal=0.5_pReal)
|
|
num%subStepSizeLi = num_crystallite%get_asFloat ('subStepSizeLi', defaultVal=0.5_pReal)
|
|
num%rtol_crystalliteState = num_crystallite%get_asFloat ('rtol_State', defaultVal=1.0e-6_pReal)
|
|
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
|
|
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
|
|
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
|
|
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
|
|
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
|
|
|
|
if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst')
|
|
if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst')
|
|
if(num%stepIncreaseCryst <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseCryst')
|
|
|
|
if(num%subStepSizeLp <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLp')
|
|
if(num%subStepSizeLi <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLi')
|
|
|
|
if(num%rtol_crystalliteState <= 0.0_pReal) call IO_error(301,ext_msg='rtol_crystalliteState')
|
|
if(num%rtol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='rtol_crystalliteStress')
|
|
if(num%atol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='atol_crystalliteStress')
|
|
|
|
if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
|
|
|
|
if(num%nState < 1) call IO_error(301,ext_msg='nState')
|
|
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
|
|
|
|
|
|
phases => config_material%get('phase')
|
|
|
|
do ph = 1, phases%length
|
|
if (damageState(ph)%sizeState > 0) &
|
|
allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
|
|
enddo
|
|
|
|
print'(a42,1x,i10)', ' # of elements: ', eMax
|
|
print'(a42,1x,i10)', ' # of integration points/element: ', iMax
|
|
print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax
|
|
flush(IO_STDOUT)
|
|
|
|
|
|
!$OMP PARALLEL DO
|
|
do el = 1, size(material_phaseMemberAt,3)
|
|
do ip = 1, size(material_phaseMemberAt,2)
|
|
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
|
|
call crystallite_orientations(co,ip,el)
|
|
call plastic_dependentState(co,ip,el) ! update dependent state variables to be consistent with basic states
|
|
enddo
|
|
enddo
|
|
enddo
|
|
!$OMP END PARALLEL DO
|
|
|
|
|
|
end subroutine crystallite_init
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief calculates orientations
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine crystallite_orientations(co,ip,el)
|
|
|
|
integer, intent(in) :: &
|
|
co, & !< counter in integration point component loop
|
|
ip, & !< counter in integration point loop
|
|
el !< counter in element loop
|
|
|
|
|
|
call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&
|
|
mechanical_F_e(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))))
|
|
|
|
if (plasticState(material_phaseAt(1,el))%nonlocal) &
|
|
call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
|
|
material_phaseAt(1,el),ip,el)
|
|
|
|
|
|
end subroutine crystallite_orientations
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Map 2nd order tensor to reference config
|
|
!--------------------------------------------------------------------------------------------------
|
|
function crystallite_push33ToRef(co,ce, tensor33)
|
|
|
|
real(pReal), dimension(3,3), intent(in) :: tensor33
|
|
integer, intent(in):: &
|
|
co, &
|
|
ce
|
|
real(pReal), dimension(3,3) :: crystallite_push33ToRef
|
|
|
|
real(pReal), dimension(3,3) :: T
|
|
integer :: ph, en
|
|
|
|
ph = material_phaseID(co,ce)
|
|
en = material_phaseEntry(co,ce)
|
|
T = matmul(material_orientation0(co,ph,en)%asMatrix(),transpose(math_inv33(phase_F(co,ce)))) ! ToDo: initial orientation correct?
|
|
|
|
crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
|
|
|
|
end function crystallite_push33ToRef
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief determines whether a point is converged
|
|
!--------------------------------------------------------------------------------------------------
|
|
logical pure function converged(residuum,state,atol)
|
|
|
|
real(pReal), intent(in), dimension(:) ::&
|
|
residuum, state, atol
|
|
real(pReal) :: &
|
|
rTol
|
|
|
|
rTol = num%rTol_crystalliteState
|
|
|
|
converged = all(abs(residuum) <= max(atol, rtol*abs(state)))
|
|
|
|
end function converged
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Write restart data to file.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_restartWrite(fileHandle)
|
|
|
|
integer(HID_T), intent(in) :: fileHandle
|
|
|
|
integer(HID_T), dimension(2) :: groupHandle
|
|
integer :: ph
|
|
|
|
|
|
groupHandle(1) = HDF5_addGroup(fileHandle,'phase')
|
|
|
|
do ph = 1, size(material_name_phase)
|
|
|
|
groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_phase(ph))
|
|
|
|
call mechanical_restartWrite(groupHandle(2),ph)
|
|
|
|
call HDF5_closeGroup(groupHandle(2))
|
|
|
|
enddo
|
|
|
|
call HDF5_closeGroup(groupHandle(1))
|
|
|
|
end subroutine phase_restartWrite
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Read restart data from file.
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine phase_restartRead(fileHandle)
|
|
|
|
integer(HID_T), intent(in) :: fileHandle
|
|
|
|
integer(HID_T), dimension(2) :: groupHandle
|
|
integer :: ph
|
|
|
|
|
|
groupHandle(1) = HDF5_openGroup(fileHandle,'phase')
|
|
|
|
do ph = 1, size(material_name_phase)
|
|
|
|
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_phase(ph))
|
|
|
|
call mechanical_restartRead(groupHandle(2),ph)
|
|
|
|
call HDF5_closeGroup(groupHandle(2))
|
|
|
|
enddo
|
|
|
|
call HDF5_closeGroup(groupHandle(1))
|
|
|
|
end subroutine phase_restartRead
|
|
|
|
|
|
end module phase
|